Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.1891   -0.9171   -0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    0.0643   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123   -0.2063   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534   -1.3661   -0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775    0.8092   -0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147    0.5517   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637    0.5827   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5081    0.3139   -1.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1246    0.0077   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.0188    1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    0.2501    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468   -0.2693    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2168   -0.2298   -1.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069   -0.5937    1.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8256   -1.9125   -0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416   -0.7360   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7406    1.0614   -0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173    0.8191   -2.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1166    0.3392   -2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -0.2572    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742    0.2121    1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844   -1.2617    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2171   -1.0218    1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695    0.3332    1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers